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Chemistry, part 2

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Concept information

... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > desmethyl-5-hydroxynovobiocin
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > phenylpropanoid > coumarins > desmethyl-5-hydroxynovobiocin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic aromatic compound > phenylpropanoid > coumarins > desmethyl-5-hydroxynovobiocin
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > phenylpropanoid > coumarins > desmethyl-5-hydroxynovobiocin
... > organooxygen compound > oxacycle > benzopyran > 1-benzopyran > chromenes > chromenone > coumarins > desmethyl-5-hydroxynovobiocin
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > benzopyran > 1-benzopyran > chromenes > chromenone > coumarins > desmethyl-5-hydroxynovobiocin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > benzopyran > 1-benzopyran > chromenes > chromenone > coumarins > desmethyl-5-hydroxynovobiocin
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > benzopyran > 1-benzopyran > chromenes > chromenone > coumarins > desmethyl-5-hydroxynovobiocin
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > benzopyran > 1-benzopyran > chromenes > chromenone > coumarins > desmethyl-5-hydroxynovobiocin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > benzopyran > 1-benzopyran > chromenes > chromenone > coumarins > desmethyl-5-hydroxynovobiocin
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > benzopyran > 1-benzopyran > chromenes > chromenone > coumarins > desmethyl-5-hydroxynovobiocin

Preferred term

desmethyl-5-hydroxynovobiocin  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C30H34N2O12

inchi

  • InChI=1S/C30H34N2O12/c1-12(2)6-7-14-10-15(11-17(33)20(14)34)26(38)32-19-21(35)16-8-9-18(13(3)23(16)42-27(19)39)41-28-22(36)24(43-29(31)40)25(37)30(4,5)44-28/h6,8-11,22,24-25,28,33-37H,7H2,1-5H3,(H2,31,40)(H,32,38)/t22-,24+,25-,28-/m1/s1

inchikey

  • JTTISVWBARQIRG-BOFKSZNZSA-N

mass

  • 614.604

monoisotopicmass

  • 614.21117

smiles

  • O=C1OC2=C(C=CC(=C2C)O[C@@H]3OC([C@H](O)[C@H]([C@H]3O)OC(=O)N)(C)C)C(=C1NC(=O)C4=CC(O)=C(O)C(=C4)CC=C(C)C)O

subset

  • 2_STAR

synonym EXACT

  • [(3R,4R,5R,6R)-6-[3-[[3,4-dihydroxy-5-(3-methylbut-2-enyl)benzoyl]amino]-4-hydroxy-8-methyl-2-oxochromen-7-yl]oxy-3,5-dihydroxy-2,2-dimethyloxan-4-yl] carbamate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:212545

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